![CAS 1357352-35-2 6A-Trifluoromethyl-Tetrahydro-Pyrrolo[3,4-C]Pyrrole-2,3A-Dicarboxylic Acid 2-Tert-Butyl Ester 3A-Ethyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1357352-35-2.gif)
CAS RN: 1357352-35-2
6A-Trifluoromethyl-Tetrahydro-Pyrrolo[3,4-C]Pyrrole-2,3A-Dicarboxylic Acid 2-Tert-Butyl Ester 3A-Ethyl Ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250907 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1357352-35-2
- Purity/Analytical Methods: >99.0%
1357352-35-2 / 5-O-tert-butyl 6a-O-ethyl 3a-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5,6a-dicarboxylate
Basic Information
CAS
1357352-35-2
Multi CAS
No
Molecular Formula
C15H23F3N2O4
Molecular Weight
352.350000
Exact Mass
352.160992
SMILES
CCOC(=O)C12CNCC1(CN(C2)C(=O)OC(C)(C)C)C(F)(F)F
InChI
InChI=1S/C15H23F3N2O4/c1-5-23-10(21)13-6-19-7-14(13,15(16,17)18)9-20(8-13)11(22)24-12(2,3)4/h19H,5-9H2,1-4H3
InChIKey
YFDUJMAXOJZICU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.87
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.23
TPSA
67.87
LogP / Solubility
WLOGP
1.94
MLOGP
1.72
XLogP3
1.5
Consensus LogP
1.72
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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